ZINC 12

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Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

4356960

Zinc Item 4356960

Analogs

4356963
5373909
5373912

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[3-(2-furyl)prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic 2-[5-[3-(2-furyl)prop-2-enyliden…

Find On: PubMed — Wikipedia — Google

Vendors

Vitas-M
- STK594129
eMolecules
- 206982779
IBScreen
- STOCK5S-14897
Innovapharm
- STT-00182334
Life Chemicals
- F1951-0295

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTN22-1-E	Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP (cluster #1 Of 1), Eukaryotic	Eukaryotes	2500	0.39	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.34	7.91	-57.28	0	5	-1	75	308.36	4	↓ MOL2 SDF SMILES Flexibase

4356963

Zinc Item 4356963

Analogs

5373909
5373912
4356960

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[3-(2-furyl)prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic 2-[5-[3-(2-furyl)prop-2-enyliden…

Find On: PubMed — Wikipedia — Google

Vendors

Vitas-M
- STK594129
eMolecules
- 206982779
IBScreen
- STOCK5S-14897
Innovapharm
- STT-00182334
Life Chemicals
- F1951-0295

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTN22-1-E	Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP (cluster #1 Of 1), Eukaryotic	Eukaryotes	2500	0.39	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.34	8	-58.71	0	5	-1	75	308.36	4	↓ MOL2 SDF SMILES Flexibase

8451845

Zinc Item 8451845

Analogs

8816255
8451841

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-({2,4-dioxo-3-[2-oxo-2-(2-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-1H-pyrrol-1-yl]benzoic acid 3-[2-({2,4-dioxo-3-[2-oxo-2-(2-t…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTN22-1-E	Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP (cluster #1 Of 1), Eukaryotic	Eukaryotes	1900	0.24	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	11.98	-57	1	8	-1	113	460.491	6	↓ MOL2 SDF SMILES Flexibase

8451844

Zinc Item 8451844

Analogs

33291787
8451841

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-({3-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-1H-pyrrol-1-yl]benzoic acid 3-[2-({3-[2-(2,4-dimethylanilino…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTN22-1-E	Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	0.25	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.77	12.66	-57.18	1	8	-1	113	474.518	6	↓ MOL2 SDF SMILES Flexibase

4356981

Zinc Item 4356981

Analogs

4356984
5373896
5373899
5373901
5373904

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[3-(2-furyl)prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]-3-methyl-butanoic 2-[5-[3-(2-furyl)prop-2-enyliden…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTN22-1-E	Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP (cluster #1 Of 1), Eukaryotic	Eukaryotes	1900	0.36	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.08	9.61	-59.02	0	5	-1	75	336.414	5	↓ MOL2 SDF SMILES Flexibase

4356984

Zinc Item 4356984

Analogs

5373896
5373899
5373901
5373904
33762123

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-[3-(2-furyl)prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]-3-methyl-butanoic 2-[5-[3-(2-furyl)prop-2-enyliden…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTN22-1-E	Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP (cluster #1 Of 1), Eukaryotic	Eukaryotes	1900	0.36	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.08	10.67	-59.07	0	5	-1	75	336.414	5	↓ MOL2 SDF SMILES Flexibase

8451841

Zinc Item 8451841

Analogs

8451844
8451845
8816255
33291787

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-({3-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl)-1H-pyrrol-1-yl]benzoic acid 3-[2-({3-[2-(2,6-dimethylanilino…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTN22-1-E	Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP (cluster #1 Of 1), Eukaryotic	Eukaryotes	4800	0.22	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.81	12.6	-56.44	1	8	-1	113	474.518	6	↓ MOL2 SDF SMILES Flexibase

2141803

Zinc Item 2141803

Analogs

8816374

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[5-({2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2-furyl]-2-methylbenzoic acid 3-[5-({2,4-dioxo-3-[2-oxo-2-(4-t…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTN22-1-E	Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP (cluster #1 Of 1), Eukaryotic	Eukaryotes	3500	0.22	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.90	11.95	-69.37	1	8	-1	121	475.502	6	↓ MOL2 SDF SMILES Flexibase

2434684

Zinc Item 2434684

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propionate 3-[(5E)-5-[[5-(1,3-benzothiazol-…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTN22-1-E	Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP (cluster #1 Of 1), Eukaryotic	Eukaryotes	980	0.31	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	11.71	-72.76	0	6	-1	88	415.497	5	↓ MOL2 SDF SMILES Flexibase

2415873

Zinc Item 2415873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyrate 4-[(5E)-5-[[5-(1,3-benzothiazol-…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTN22-1-E	Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.29	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	12.52	-71.24	0	6	-1	88	429.524	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = PTN22_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'PTN22\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=PTN22_HUMAN&filter.purchasability=purchasable

Embed Link to Results

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "annotation.name": "PTN22_HUMAN"        

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</script>